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Induced fit docking, and the use of QM/MM methods in docking
Docking methods are popular computational techniques in drug discovery to identify new active molecules that bind to a given biological target. Although widely used, the predictive reliability of docking methods is often limited by the inability to accurately and efficiently model protein flexibilit...
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| Hlavní autoři: | , |
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| Médium: | Artigo |
| Jazyk: | Inglês |
| Vydáno: |
2013
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| Témata: | |
| On-line přístup: | https://ncbi.nlm.nih.gov/pmc/articles/PMC3719877/ https://ncbi.nlm.nih.gov/pubmed/24050138 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.ddtec.2013.02.003 |
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